Aquivalence revisited--new model formulation and application to assess environmental fate of ionic pharmaceuticals in Hamilton Harbour, Lake Ontario

A model formulation based on "aquivalence", as defined in terms of activity is presented to estimate the multimedia fate of ionizing chemicals. The aquivalence approach is analogous to fugacity but aquivalence is applicable to neutral and ionizing compounds, and has been applied previously to speciating chemicals, notably metals. The new aquivalence-based mass-balance model treats ionizing organic compounds that exist as interconverting neutral and ionic species which are subject to fate processes at differing rates. The model is illustrated by application to four ionizing pharmaceuticals in Hamilton Harbour, Lake Ontario. At the system pH of 7.9-8.5, ibuprofen, gemfibrozil, and naproxen are expected to be almost entirely ionic and triclosan split between ionic and neutral forms. Measured seasonal surface water concentrations, which were 2-10 times lower in the late summer and fall than during spring, were used to solve for unknown values of chemical half-life in the water column due to degradation (photo- and bio-) of the ionizing and neutral forms and secondarily, ionic sorption coefficients of the ionizing forms. Model estimates of half-lives in the habour's water ranged from 11 to 77, 11 to 147 and 10 to 37 for ionic ibuprofen, gemfibrozil, and naproxen, respectively; and 4-22 days and 2-9 days for ionic and neutral triclosan, respectively, with the shortest half-lives in spring and the longest in summer.     

A new hazard index of complex mixtures integrates bioconcentration and toxicity to refine the environmental risk assessment of effluents

A new methodology to evaluate the overall environmental hazard of unknown mixtures, based on bioconcentration potential and toxicity, was developed using a combination of two methodologies: 1) the estimation of the octanol-water partition coefficient (K(ow)) using reverse-phase high performance liquid chromatography (RP-HPLC) and 2) the toxicity identification evaluation (TIE). Forty seven compounds with known K(ow) and different molecular structures where used for the calibration of the log K(ow) in relation to the retention time in reverse-phase high performance liquid chromatography (RP-HPLC). A linear regression with an R(2)=0.81 and an sd=0.69 was established between log K(ow) and RP-HPLC retention time. This K(ow) estimation method was furthermore validated using seven additional compounds, showing acceptable estimations of the log K(ow) of unknown substances. Two different mixtures were tested, one containing 3,4 Dichloroaniline, Diazinon and 4-Nonylphenol and another one containing a mixture of 16 pesticides. Both mixtures were first tested as a whole effluent and then fractionated and tested, using a miniaturized Daphnia magna test. An equation is presented, that combines both methodologies and establishes a relative hazard index RHI, ranging from 1 to 10 for any particular mixture of chemicals. The results show how the method presented can refine the security factors that could be included in the environmental risk assessment of effluents in the future.     

Biota-sediment accumulation factors for Dechlorane Plus in bottom fish from an electronic waste recycling site, South China

Biota-sediment accumulation factors (BSAFs) for Dechlorane Plus (DP), a highly chlorinated flame retardant, were determined in three bottom fish species, i.e., crucian carp, mud carp, and northern snakehead from an electronic waste recycling site in South China. The average BSAFs are 0.007, 0.01, and 0.06 for syn-DP, and 0.003, 0.025, and 0.001 for anti-DP in crucian carp, mud carp, and northern snakehead, respectively, suggesting low bioaccumulation potential of DP isomers in these fish. However, the bioaccumulation factors (BAFs) determined previously in the same sample set indicated that both DP isomers were highly bioaccumulative (BAFs>5000) in most of the samples. This implies that BSAF values may be inherently inconsistent affecting their reliability as a bioaccumulation indicator. The BSAFs for DP isomers are two orders of magnitude lower than those (average of 0.43-2.28) for extremely hydrophobic polychlorinated biphenyls (CBs 199, 203, 207 and 208), but are comparable to those (average of 0.0001-0.009) for decabromodiphenyl ether (BDE 209) determined in the same sample set. Despite of the different chemical structures of the three compound classes, significantly negative correlations between logarithm of octanol-water partition coefficients (log K(OW)s) and BSAFs of these chemicals were found, indicating that hydrophobicity is one of the key factors influencing the bioaccumulation of these compounds.     

Biota-sediment accumulation factors for Dechlorane Plus in bottom fish from an electronic waste recycling site,South China

Biota-sediment accumulation factors (BSAFs) for Dechlorane Plus (DP), a highly chlorinated flame retardant, were determined in three bottom fish species, i.e., crucian carp, mud carp, and northern snakehead from an electronic waste recycling site in South China. The average BSAFs are 0.007, 0.01, and 0.06 for syn-DP, and 0.003, 0.025, and 0.001 for anti-DP in crucian carp, mud carp, and northern snakehead, respectively, suggesting low bioaccumulation potential of DP isomers in these fish. However, the bioaccumulation factors (BAFs) determined previously in the same sample set indicated that both DP isomers were highly bioaccumulative (BAFs > 5000) in most of the samples. This implies that BSAF values may be inherently inconsistent affecting their reliability as a bioaccumulation indicator. The BSAFs for DP isomers are two orders of magnitude lower than those (average of 0.43–2.28) for extremely hydrophobic polychlorinated biphenyls (CBs 199, 203, 207 and 208), but are comparable to those (average of 0.0001–0.009) for decabromodiphenyl ether (BDE 209) determined in the same sample set. Despite of the different chemical structures of the three compound classes, significantly negative correlations between logarithm of octanol–water partition coefficients (log K_OWs) and BSAFs of these chemicals were found, indicating that hydrophobicity is one of the key factors influencing the bioaccumulation of these compounds.     

The influence of the sorptive properties of organic soils on the migration rate of 137Cs

Using a compartment model, the migration rates of 137Cs were calculated for two types of organic soils: a low peat-muck soil and a black earth. The migration rates of 137Cs in the tested soils turned out to be significantly higher than in mineral types examined earlier and ranged from 0.6 to 12.3 cm/year. The partition coefficients (Kd) were also determined for samples with varying organic matter content (OM) that were taken from different layers of the studied soils. The experimental results indicate that there is a clear relationship between Kd values and OM. The investigation was widened by microcalorimetric measurements which confirmed that the adsorption of 137Cs on the organic soils is low.     

Comparison and analysis of different approaches for estimating the human exposure to phthalate esters

The human exposure estimates for dibutyl (DBP) and bis(2-ethylhexyl) phthalate (DEHP) made by two models EUSES and ACC-Human, and by an estimation approach which utilized measured concentrations in exposure media, were compared. The approach which utilized the latest monitoring data for important exposure media, yielded median daily intakes for adult humans for DBP and DEHP of 2.7 and 5.6 microg/kg body weight per day, respectively, which were in the same range as previous estimates based on back-calculation from urinary metabolites. EUSES estimated average daily intakes of DBP and DEHP for humans that were between 8 and 13 times lower. ACC-Human does not estimate average daily intakes, but ACC-Human-estimated human milk concentrations/fugacities were more than a thousand times lower than measured concentrations/fugacities in human milk. It was concluded that the two models underestimate human exposure to phthalate esters because they consider only a few key pathways that are known to be important for other, more persistent, hydrophobic organic compounds. Further, it was shown that there are differences between the two models on the methodology for estimating concentrations in exposure media such as vegetation, milk, beef and fish. ACC-Human uses a mechanistic approach for estimating transfer through aquatic and terrestrial food chains that are known to be important for human exposure to persistent, hydrophobic organics and can, unlike EUSES, account for food chain metabolism. It proved difficult, however, to obtain organism metabolism rates needed as model inputs to ACC-Human. If exposure estimates of phthalate esters are needed, it is recommended to use an estimation approach based on high quality monitoring data as presented here and/or back-calculate daily intake from concentrations of metabolites in human urine samples from the general population.     

Monitoring individual exposure. Measurements of volatile organic compounds in breathing-zone air, drinking water, and exhaled breath

Methods for determining individual exposure to volatile organic compounds (VOC) during normal daily activities were field tested on university student volunteers in Texas and North Carolina. The equipment tested included a personal monitor employing Tenax GC® to collect organic vapors for later analysis by GC-MS, and a specially designed spirometer for collecting samples of expired human breath on duplicate Tenax cartridges. The personal monitor and spirometer proved feasible for collecting abundant quantitative data on most of the 15 target organics. Air exposures to many VOC varied widely, sometimes over three orders of magnitude, among students on the same campus who had been monitored over the same time period and day. A log-linear relationship between breathing-zone air exposures and concentrations in exhaled breath was suggested for three chemicals: tetrachloroethylene, 1,1,1-trichloroethane, and vinylidene chloride. Air was the main route of exposure for all target compounds except the two trihalomethanes (chloroform and bromodichloromethane), which were transmitted mainly through water. Estimated total daily intake through air and water of the target organics ranged from 0.3 to 12.6 mg, with 1,1,1-trichloroethane at the highest concentrations in both geographic areas.     

淮河(江苏段)水体有机污染物风险评价

淮河（江苏段）水体检测到的半挥发性有机物和有机氯农药绝大多数属于USEPA的优先控制污染物。应用USEPA规定的水中优先控制污染物和非优先控制污染物对人体健康的摄入与饮入之和的水体有机物浓度标准,计算了淮河（江苏段）水体的48种有机污染物的环境暴露浓度,并根据最高环境暴露浓度与USEPA水质指标的比值,参考IARC的化合物致癌性指标,建立了一套表征水体有机污染物的风险特征以及采取相应管理措施和建议的评价体系,对这些化合物的环境健康风险进行了评价。结果表明,有18种有机污染物超过了USEPA的标准浓度要求,其中9种物质具有一定的生态风险,其中六氯苯、N-亚硝基二正丙胺、3,3'-二氯联苯胺、2,4,6-三氯酚、五氯酚、茚并(1,2,3-cd)芘、4,4'-滴滴涕、七氯在内的8种化合物具有一定的风险,而多环芳烃二苯并(a,h)蒽需要引起更高警惕;在此基础上探讨了这些化合物的来源及作用,并提出了相应的防治建议。     

Identification of nonvolatile neutral organic compounds in tap water

Nonvolatile neutral organic compounds in tap water were examined by high-pressure liquid chromatography, infrared spectrometry, ¹H- and ¹³C-FT-NMR, gel permeation chromatography, elementary analysis, and field desorption mass spectrometry. Neutral organic compounds in 10 m³ of tap water were continuously extracted by the Amberlite XAD-2 resin column, and separated into four fractions by silica-gel column chromatography. Removal of volatile compounds in fraction 3 including polar oxygenated compounds was carried out with microdistillation column under high vacuum by using a diffusion pump. Nonvolatile organic compounds isolated from tap water were identified as poly(vinyl acetate) derivatives with molecular weights ranging from 300 to 1300.     

Linear and quadratic models of the southern Murray-Darling basin.

Linear programming (LP), a well-established technique for modelling agricultural and other systems, has been extensively used to model irrigation systems in Australia. The models constructed have been used to assess the effects of changing water charges on farm incomes, water use, and the effects of trade in water allocations. An LP model that reflects actual farm behaviour requires a large amount of data. Moreover, demand and supply functions estimated with LP models are necessarily stepped rather than smooth. Howitt has suggested a way of escaping from these problems of LP models. His positive programming approach replaces an LP model with a simpler quadratic programming model. In this paper, Howitt's approach is used to develop a quadratic programming model from an existing LP model of irrigated agriculture in the southern Murray-Darling basin of Australia. A comparison of the quadratic and linear models indicates that the quadratic programming model is smaller and simpler to specify and that it produces similar results to the linear model, in terms of cropping, trade, and demand for irrigation water. The choice of modelling technique depends on the problem and the available resources. Positive programming can be a valuable addition to the farm modellers' arsenal.     

Occurrence and behaviour of radionuclides in the Moselle River-Part II: Distribution of radionuclides between aqueous phase and suspended matter

Most of the radionuclides released from nuclear power plants ( NPPs) into rivers are primarily adsorbed onto suspended matter. To describe this nuclide transfer, a model was used which takes the total suspended matter load as solid phase into account. The necessary partition factors of various radionuclides were determined in river water/suspended matter of the Moselle in laboratory investigations. By use of this model, a conservative estimate of the radionuclide concentration of the solid phase could be obtained which proved to be more realistic than the results based on the distribution law.Furthermore, the influence of grain-size on the specific activity of single fractions of a Moselle sediment was demonstrated using ¹³⁷Cs, ¹⁰⁶Ru and ¹⁴⁴Ce from the Chernobyl nuclear accident as tracers. The grain-size pattern is considered to be a main factor which may seriously distort the determination of distribution coefficients and concentration factors that are needed in applying the model based on the distribution law.     

A new general mechanistic river model for radionuclides from single pulse fallouts which can be run by readily accessible driving variables

This paper presents a new general, process-based river model for substances such as radionuclides from single pulse fallouts. The new model has been critically tested using data from 13 European rivers contaminated by radiocesium from the Chernobyl accident. This modelling approach gives radionuclide concentrations in water (total, dissolved and particulate phases; and also concentrations in sediments and fish, but the latter aspects are not discussed in this paper) at defined river sites. The model is based on processes in the upstream river stretch and in the upstream catchment area. The catchment area is differentiated into inflow ( approximately dry land) areas and outflow ( approximately wetland) areas. The model also accounts for time-dependent fixation of substances in the catchment. The catchment area sub-model is based on a previous catchment model, which has been tested with very good results for radiocesium, radiostrontium and Ca-concentrations (from liming operations). The new river model is simple to apply in practice since all driving variables may be readily accessed from maps and standard monitoring programs. The driving variables are: latitude, altitude, continentality, catchment area, mean annual precipitation, soil type (percentages or organic and sandy soils), fallout and month of fallout. Modelled values have been compared to independent empirical data from 10 rivers sites (91 data on radiocesium in water) covering a wide domain (catchment areas from 4000 to 180 000 km(2), precipitation from 500 to 960 mm/yr and fallout from 1700 to 660 000 Bq/m(2)). The new model predicts very well--when modelled values are compared to empirical data, the slope is perfect (1.0) and the r(2)-value is 0.90. This is good giving the fact that there are also uncertainties in the empirical data, which set a limit to the achieved predictive power, as expressed by the r(2)-value.     

Bioaccumulation of polybrominated diphenyl ethers (PBDEs) and polychlorinated biphenyls (PCBs) in wild aquatic species from an electronic waste (e-waste) recycling site in South China

Water and several wild aquatic species including Chinese mysterysnail, prawn, fish, and water snake were collected from a reservoir surrounded by several e-waste recycling workshops in South China. The samples were examined to investigate the levels and bioaccumulation extent of polybrominated diphenyl ethers (PBDEs) and polychlorinated biphenyls (PCBs) released from electronic waste (e-waste) which was processed by crude recycling method. Elevated levels of PBDEs [52.7 to 1702 ng/g wet weight (ww)] and PCBs (20.2-25958 ng/g ww) were found in the collected biota species compared to that in the reference samples (13.0-20.5 ng/g ww for PBDEs and 75.4-82.8 ng/g ww for PCBs). log BAF (bioaccumulation factor) ranged from 2.9 to 5.3 for PBDEs and from 1.2 to 8.4 for PCBs, depending on congeners and species. The relationship between log BAFs and log K(OW) (octanol-water partition coefficient) can be adequately described by species-specific parabolic models wherein log BAFs generally increased at log K(OW)<7 then decreased with further increasing log K(OW) both for PBDEs and PCBs. The exceptions were for Chinese mysterysnail and prawn, in which the log BAFs showed a positive linear correlation with log K(OW) for PBDEs. Some PBDE and PCB congeners showed BAF values declining from the general trend predicted by K(OW), largely attributing to metabolism of these congeners in species sampled.     

Modelling the transport of radionuclides from land to water

This paper addresses some fundamental problems related to the structure and function of catchment areas in general and for seasonal (weekly, monthly) mass balance calculations of radionuclides (and metals, organics and nutrients) in particular. A new catchment area model has been developed and critically tested. This modelling approach is based on mechanistic principles. The catchment area is differentiated into inflow ( approximately dry land) areas and outflow (=wetland) areas. The model also accounts for time-dependent fixation of substances in the catchment related to single-pulse fallouts. The model has a general structure. It is simple to use since there are only two soil type classes and three categories for the outflow areas. In critical tests, the model was put within a framework where it is intended, i.e., within a more comprehensive lake model. Radiocesium was used as a tracer in these tests. Modelled values were compared to empirical data from 23 lakes (351 data on (137)Cs in water, as well as in sediments, small fish and on suspended particles) covering a very wide limnological domain (latitudes from 42 to 61 degrees V, altitudes from 0 to 1090 m ASL, catchment areas from 0.17 to 114,700 km(2), precipitation from 430 to 1840 mm/year, lake areas from 0.042 to 1147 km(2), mean depths from 1.1 to 90 m, pH from 5.1 to 9 units, potassium concentrations from 0.23 to 27.5 mg/l, total P concentrations from 8.3 to 100 microg/l and theoretical water retention times from 0.02 to 137 years). When modelled values were compared to empirical data, the slope was almost perfect (0.99) as well as the coefficient of determination (r2 = 0.96).     

Environmental fate of alkylphenols and alkylphenol ethoxylates--a review

Alkylphenol ethoxylates (APEs) are widely used surfactants in domestic and industrial products, which are commonly found in wastewater discharges and in sewage treatment plant (STP) effluents. Degradation of APEs in wastewater treatment plants or in the environment generates more persistent shorter-chain APEs and alkylphenols (APs) such as nonylphenol (NP), octylphenol (OP) and AP mono- to triethoxylates (NPE1, NPE2 and NPE3). There is concern that APE metabolites (NP, OP, NPE1-3) can mimic natural hormones and that the levels present in the environment may be sufficient to disrupt endocrine function in wildlife and humans. The physicochemical properties of the APE metabolites (NP, NPE1-4, OP, OPE1-4), in particular the high K(ow) values, indicate that they will partition effectively into sediments following discharge from STPs. The aqueous solubility data for the APE metabolites indicate that the concentration in water combined with the high partition coefficients will provide a significant reservoir (load) in various environmental compartments. Data from studies conducted in many regions across the world have shown significant levels in samples of every environmental compartment examined. In the US, levels of NP in air ranged from 0.01 to 81 ng/m3, with seasonal trends observed. Concentrations of APE metabolites in treated wastewater effluents in the US ranged from < 0.1 to 369 microg/l, in Spain they were between 6 and 343 microg/l and concentrations up to 330 microg/l were found in the UK. Levels in sediments reflected the high partition coefficients with concentrations reported ranging from < 0.1 to 13,700 microg/kg for sediments in the US. Fish in the UK were found to contain up to 0.8 microg/kg NP in muscle tissue. APEs degraded faster in the water column than in sediment. Aerobic conditions facilitate easier further biotransformation of APE metabolites than anaerobic conditions.     

Screening of hormone-like activities in bottled waters available in Southern Spain using receptor-specific bioassays

Bottled water consumption is a putative source of human exposure to endocrine-disrupting chemicals (EDCs). Research has been conducted on the presence of chemicals with estrogen-like activity in bottled waters and on their estrogenicity, but few data are available on the presence of hormonal activities associated with other nuclear receptors (NRs). The aim of this study was to determine the presence of endocrine activities dependent on the activation of human estrogen receptor alpha (hERa) and/or androgen receptor (hAR) in water in glass or plastic bottles sold to consumers in Southern Spain. Hormone-like activities were evaluated in 29 bottled waters using receptor-specific bioassays based on reporter gene expression in PALM cells [(anti-)androgenicity] and cell proliferation assessment in MCF-7 cells [(anti-)estrogenicity] after optimized solid phase extraction (SPE). All of the water samples analyzed showed hormonal activity. This was estrogenic in 79.3% and anti-estrogenic in 37.9% of samples and was androgenic in 27.5% and anti-androgenic in 41.3%, with mean concentrations per liter of 0.113 pM 17β-estradiol (E₂) equivalent units (E₂Eq), 11.01 pM anti-estrogen (ICI 182780) equivalent units (ICI 182780Eq), 0.33 pM methyltrienolone (R1881) equivalent units (R1881Eq), and 0.18 nM procymidone equivalent units (ProcEq). Bottled water consumption contributes to EDC exposure. Hormone-like activities observed in waters from both plastic and glass bottles suggest that plastic packaging is not the sole source of contamination and that the source of the water and bottling process may play a role, among other factors. Further research is warranted on the cumulative effects of long-term exposure to low doses of EDCs.     

A new multimedia contaminant fate model for China: How important are environmental parameters in influencing chemical persistence and long-range transport potential?

We present a new multimedia chemical fate model (SESAMe) which was developed to assess chemical fate and behaviour across China. We apply the model to quantify the influence of environmental parameters on chemical overall persistence (P_OV) and long-range transport potential (LRTP) in China, which has extreme diversity in environmental conditions. Sobol sensitivity analysis was used to identify the relative importance of input parameters. Physicochemical properties were identified as more influential than environmental parameters on model output. Interactive effects of environmental parameters on P_OV and LRTP occur mainly in combination with chemical properties. Hypothetical chemicals and emission data were used to model P_OV and LRTP for neutral and acidic chemicals with different K_OW/D_OW, vapour pressure and pK_a under different precipitation, wind speed, temperature and soil organic carbon contents (f_OC). Generally for P_OV, precipitation was more influential than the other environmental parameters, whilst temperature and wind speed did not contribute significantly to P_OV variation; for LRTP, wind speed was more influential than the other environmental parameters, whilst the effects of other environmental parameters relied on specific chemical properties. f_OC had a slight effect on P_OV and LRTP, and higher f_OC always increased P_OV and decreased LRTP. Example case studies were performed on real test chemicals using SESAMe to explore the spatial variability of model output and how environmental properties affect P_OV and LRTP. Dibenzofuran released to multiple media had higher P_OV in northwest of Xinjiang, part of Gansu, northeast of Inner Mongolia, Heilongjiang and Jilin. Benzo[a]pyrene released to the air had higher LRTP in south Xinjiang and west Inner Mongolia, whilst acenaphthene had higher LRTP in Tibet and west Inner Mongolia. TCS released into water had higher LRTP in Yellow River and Yangtze River catchments. The initial case studies demonstrated that SESAMe performed well on comparing P_OV and LRTP of chemicals in different regions across China in order to potentially identify the most sensitive regions. This model should not only be used to estimate P_OV and LRTP for screening and risk assessments of chemicals, but could potentially be used to help design chemical monitoring programmes across China in the future.     

Human health effects of residual carbon nanotubes and traditional water treatment chemicals in drinking water

The volume of industrial and domestic wastewater is increasing significantly year by year with the change in the lifestyle based on mass consumption and mass disposal brought about by the dramatic development of economies and industries. Therefore, effective advanced wastewater treatment is required because wastewater contains a variety of constituents such as particles, organic materials, and emulsion depending on the resource. However, residual chemicals that remain during the treatment of wastewaters form a variety of known and unknown by-products through reactions between the chemicals and some pollutants. Chronic exposure to these by-products or residual chemicals through the ingestion of drinking water, inhalation and dermal contact during regular indoor activities (e.g., showering, bathing, cooking) may pose cancer and non-cancer risks to human health. For example, residual aluminium salts in treated water may cause Alzheimer's disease (AD). As for carbon nanotubes (CNTs), despite their potential impacts on human health and the environment having been receiving more and more attention in the recent past, existing information on the toxicity of CNTs in drinking water is limited with many open questions. Furthermore, though general topics on the human health impacts of traditional water treatment chemicals have been studied, no comparative analysis has been done. Therefore, a qualitative comparison of the human health effects of both residual CNTs and traditional water treatment chemicals is given in this paper. In addition, it is also important to cover and compare the human health effects of CNTs to those of traditional water treatment chemicals together in one review because they are both used for water treatment and purification.     

Organic contaminants in the environment: Research progress and needs

An already large and rapidly increasing number of manmade organic contaminants is found to be present in environmental samples from around the world. However, the biological effects of many of these compounds are unknown. Traditional biological testing, albeit important, cannot be done on each chemical due to limitations of the available resources. Therefore, new avenues should be pursued to screen out the hazardous compounds for more intensive research. One of these avenues, quantitative structure-activity correlations, applies the existing knowledge to estimate the effects of other, structurally related compounds. In combination with a fast and cost-effective biological test, this method appears useful in solving both the existing backlog and future needs for information on the safety and environmental effects of new chemicals.     

Emission modelling and validation of VOCs' source strengths in air-conditioned office premises

An emission model for indoor volatile organic compounds (VOCs) based on mass balance considerations has been presented and validated under steady state conditions. Comparison were made for the measured and predicted concentrations of 37 selected VOCs and TVOC through a case intervention study on the filters of the ventilation system in a new commercial air-conditioned office building. The intervention involved replacing media filters with electronic and carbon filtration. TVOC and 37 compounds selected for their health and comfort impact, representation of major chemical classes that occur in indoor air and their utility as markers of pollution sources were studied. The concentration levels predicted by the model were compared with actual measurements. Twenty-five target compounds and the TVOC were adequately described by the model where the measured concentrations were in agreement with the predicted concentrations. Modeling of the remaining 12 compounds was found to be affected by the emission rates that were occupant related.